Eslami, Hossein ; Müller‐Plathe, Florian (2024)
Self‐Assembly Pathways of Triblock Janus Particles into 3D Open Lattices.
In: Small : nano micro, 2024, 20 (14)
doi: 10.26083/tuprints-00027117
Artikel, Zweitveröffentlichung, Verlagsversion
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Kurzbeschreibung (Abstract)
The self‐assembly of triblock Janus particles is simulated from a fluid to 3D open lattices: pyrochlore, perovskite, and diamond. The coarse‐grained model explicitly takes into account the chemical details of the Janus particles (attractive patches at the poles and repulsion around the equator) and it contains explicit solvent particles. Hydrodynamic interactions are accounted for by dissipative particle dynamics. The relative stability of the crystals depends on the patch width. Narrow, intermediate, and wide patches stabilize the pyrochlore‐, the perovskite‐, and the diamond‐lattice, respectively. The nucleation of all three lattices follows a two‐step mechanism: the particles first agglomerate into a compact and disordered liquid cluster, which does not crystallize until it has grown to a threshold size. Second, the particles reorient inside this cluster to form crystalline nuclei. The free‐energy barriers for the nucleation of pyrochlore and perovskite are ≈10 kBT, which are close to the nucleation barriers of previously studied 2D kagome lattices. The barrier height for the nucleation of diamond, however, is much larger (>20 kBT), as the symmetry of the triblock Janus particles is not perfect for a diamond structure. The large barrier is associated with the reorientation of particles, i.e., the second step of the nucleation mechanism.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2024 |
| Autor(en): | Eslami, Hossein ; Müller‐Plathe, Florian |
| Art des Eintrags: | Zweitveröffentlichung |
| Titel: | Self‐Assembly Pathways of Triblock Janus Particles into 3D Open Lattices |
| Sprache: | Englisch |
| Publikationsjahr: | 12 Juni 2024 |
| Ort: | Darmstadt |
| Publikationsdatum der Erstveröffentlichung: | 4 April 2024 |
| Ort der Erstveröffentlichung: | Weinheim |
| Verlag: | Wiley-VCH |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Small : nano micro |
| Jahrgang/Volume einer Zeitschrift: | 20 |
| (Heft-)Nummer: | 14 |
| Kollation: | 12 Seiten |
| DOI: | 10.26083/tuprints-00027117 |
| URL / URN: | https://tuprints.ulb.tu-darmstadt.de/27117 |
| Zugehörige Links: | |
| Herkunft: | Zweitveröffentlichung DeepGreen |
| Kurzbeschreibung (Abstract): | The self‐assembly of triblock Janus particles is simulated from a fluid to 3D open lattices: pyrochlore, perovskite, and diamond. The coarse‐grained model explicitly takes into account the chemical details of the Janus particles (attractive patches at the poles and repulsion around the equator) and it contains explicit solvent particles. Hydrodynamic interactions are accounted for by dissipative particle dynamics. The relative stability of the crystals depends on the patch width. Narrow, intermediate, and wide patches stabilize the pyrochlore‐, the perovskite‐, and the diamond‐lattice, respectively. The nucleation of all three lattices follows a two‐step mechanism: the particles first agglomerate into a compact and disordered liquid cluster, which does not crystallize until it has grown to a threshold size. Second, the particles reorient inside this cluster to form crystalline nuclei. The free‐energy barriers for the nucleation of pyrochlore and perovskite are ≈10 kBT, which are close to the nucleation barriers of previously studied 2D kagome lattices. The barrier height for the nucleation of diamond, however, is much larger (>20 kBT), as the symmetry of the triblock Janus particles is not perfect for a diamond structure. The large barrier is associated with the reorientation of particles, i.e., the second step of the nucleation mechanism. |
| Freie Schlagworte: | colloid crystallization, Janus particles, nucleation, open lattices, self‐assembly |
| ID-Nummer: | Artikel-ID: 2306337 |
| Status: | Verlagsversion |
| URN: | urn:nbn:de:tuda-tuprints-271171 |
| Sachgruppe der Dewey Dezimalklassifikatin (DDC): | 500 Naturwissenschaften und Mathematik > 540 Chemie |
| Fachbereich(e)/-gebiet(e): | 07 Fachbereich Chemie 07 Fachbereich Chemie > Eduard Zintl-Institut 07 Fachbereich Chemie > Eduard Zintl-Institut > Fachgebiet Physikalische Chemie |
| Hinterlegungsdatum: | 12 Jun 2024 11:44 |
| Letzte Änderung: | 13 Jun 2024 06:36 |
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- Self‐Assembly Pathways of Triblock Janus Particles into 3D Open Lattices. (deposited 12 Jun 2024 11:44) [Gegenwärtig angezeigt]
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